AG002D45

20099-89-2 | Benzonitrile, 4-​(2-​bromoacetyl)​-

AG002D45

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CAS Number	20099-89-2
Catalog Number	AG002D45(AGN-PC-09TX9F)
Chemical Name	Benzonitrile, 4-​(2-​bromoacetyl)​-
EC Number	606-435-8
IUPAC Name	4-(2-bromoacetyl)benzonitrile
InChI	InChI=1S/C9H6BrNO/c10-5-9(12)8-3-1-7(6-11)2-4-8/h1-4H,5H2
InChI Key	LJANCPRIUMHGJE-UHFFFAOYSA-N
MDL Number	MFCD00052931
Molecular Formula	C9H6BrNO
Molecular Weight	224.0540
NSC Number	157569
SMILES	C(=O)(CBr)c1ccc(cc1)C#N
Synonyms	4-(2-bromoacetyl)benzonitrile, 20099-89-2, 4-Cyanophenacyl bromide, 4-(Bromoacetyl)benzonitrile, 2-Bromo-4'-cyanoacetophenone, Benzonitrile, 4-(bromoacetyl)-, p-Cyanophenacyl bromide, 4-(2-bromo-acetyl)-benzonitrile, NSC 157569, CHEMBL1801622, LJANCPRIUMHGJE-UHFFFAOYSA-N, Benzonitrile, 4-(2-bromoacetyl)-, 4-(2-BROMOETHANOYL)BENZONITRILE, AK-68295, EN300-13898, 4-Cyanophenacyl Bromide 97%, 4-(2-bromoacetyl)benzenecarbonitrile, 2-Bromo-4'-cyanoacetophenone, 97%, 4-CYANOPHENACYLBROMIDE, PubChem15747, p-Bromoacetylbenzonitrile, 4-bromoacetylbenzonitrile, 4-cyano phenacyl bromide, 4-bromoacetyl benzonitrile, 4-Bromoacetyl-benzonitrile, ACMC-209f5r, AC1L40BQ, AC1Q4RD4, 2-bromo-4'cyanoacetophenone, SCHEMBL250688, a-bromo-4'-cyano-acetophenone, 4-(Bromoacetyl)benzonitrile #, 2-bromo-4'-cyano acetophenone, 2-bromo-4'-cyano-acetophenone, AC1Q27E2, AC1Q27E3, Jsp004108, 4-(2-bromoacetyl)-benzonitrile, CTK3J4782, The intermideate of Isavuconazole, DTXSID00173920, AM835, ZINC166064, 2-bromo-1-(4-cyanophenyl)ethanone, ACT00938, BCP10300, CS-M3110, KS-00000V2K, STR07969, ZX-AT007812, ANW-23917, BDBM50347519, MFCD00052931, NSC157569, SBB064534, STK279014, 2-Bromo-1-(4-cyanophenyl)-ethanone, 2-Bromo-4'-cyanoacetophenone, 96%, 2-BROMO-4-CYANO ACETOPHENONE, AKOS000117765, AS05104, CB-2064, CM12947, FCH2256741, LS11692, MCULE-7861818785, NSC-157569, OR29653, RTC-070275, VZ27669, UPCMLD0ENAT5695579:001, AJ-16463, BBV-33689686, BC004030, BP-13004, BR-68295, CC-16263, CJ-02305, FS000853, SC-17919, ZB008576, AB0001876, AB1004426, AX8007227, DB-045087, ST2405323, TC-070275, TL8001657, FT-0611444, ST51040094, W4247, S-1726, 53511-EP2305651A1, 53511-EP2308854A1, C-12612, I01-5069, J-013010, 2-Bromo-4'-cyanoacetophenone; 4-Cyanophenacyl bromide, F0001-0711, 2-Bromo-4'-cyanoacetophenone 4-Cyanophenacyl bromide C9H6BrNO 224.06 91-96 degrees 20099-89-2 MFCD00052931 UN2923 8 N, C9H6BrNO, 1,4-Cyclohexanedicarboxamide, C9-H6-Br-N-O, CID98654, AR-1F6707, c1348, 4-(Bromoacetyl)benzonitrile, 97% 5g, ACN-040802, 2-Bromo-4'-cyanoacetophenone, 97% - 25G 25g, 3196-15-4, 33082-84-7,

Complexity	210
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	222.963g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	224.057g/mol
Monoisotopic Mass	222.963g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	40.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1(8)
Hazard statements	H317-H319
Packing Group	Ⅱ
Precautionary statements	P280-P305+P351+P338
UN Code	UN 2928

Certificate of Analysis

Lot Number